CID 18690512

1,3-diethyl-2-iodobenzene

Structural Information

Molecular Formula
C10H13I
SMILES
CCC1=C(C(=CC=C1)CC)I
InChI
InChI=1S/C10H13I/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKey
VYFIQNFCPBTUGW-UHFFFAOYSA-N
Compound name
1,3-diethyl-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

260.0062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01348 139.9
[M+Na]+ 282.99542 141.4
[M-H]- 258.99892 136.8
[M+NH4]+ 278.04002 156.6
[M+K]+ 298.96936 145.0
[M+H-H2O]+ 243.00346 131.0
[M+HCOO]- 305.00440 158.7
[M+CH3COO]- 319.02005 188.2
[M+Na-2H]- 280.98087 133.8
[M]+ 260.00565 138.4
[M]- 260.00675 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe